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23457-03-6 | Ethanone, 1-(2-methyl-3,3-diphenyl-2-oxiranyl)-
CAS No: 23457-03-6 Catalog No: AG002NB9 MDL No:
Product Description
Catalog Number:
AG002NB9
Chemical Name:
Ethanone, 1-(2-methyl-3,3-diphenyl-2-oxiranyl)-
CAS Number:
23457-03-6
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
IUPAC Name:
1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone
InChI:
InChI=1S/C17H16O2/c1-13(18)16(2)17(19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3
InChI Key:
HHURMBXGFURZBN-UHFFFAOYSA-N
SMILES:
CC(=O)C1(C)OC1(c1ccccc1)c1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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